Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
157763-35-4 / 2-(6-chloro-3-pyridinyl)propan-2-amine
Basic Information
CAS
157763-35-4
Multi CAS
No
Molecular Formula
C8H11ClN2
Molecular Weight
170.640000
Exact Mass
170.061076
SMILES
CC(C)(C1=CN=C(C=C1)Cl)N
InChI
InChI=1S/C8H11ClN2/c1-8(2,10)6-3-4-7(9)11-5-6/h3-5H,10H2,1-2H3
InChIKey
LEUKIRSZLUMFGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.46
TPSA
38.91
LogP / Solubility
WLOGP
1.93
MLOGP
1.69
XLogP3
1.3
Consensus LogP
1.64
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
2-[3-Chloro-5-(trifluoroMethyl)-2-pyridinyl]-acetonitrile
- CAS RN: 157764-10-8
- Product Code: SSC-066546
-
1,1′-BIS(DI-I-PROPYLPHOSPHINO)FERROCENE(1,5-CYCLOOCTADIENE)RHODIUM (I) TETRAFLUOROBORATE
- CAS RN: 157772-65-1
- Product Code: SSC-066551
-
-
-
ISOCALOPHYLLICACID
- CAS RN: 157810-76-9
- Product Code: starshine_CAS157810-76-9
- Purity/Analytical method: >99.0%
![CAS 157764-10-8 2-[3-Chloro-5-(trifluoroMethyl)-2-pyridinyl]-acetonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/157764-10-8.gif)
